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Ethyl 3-[methyl(phenyl)amino]propanoate
TL;DR: Ethyl 3-[methyl(phenyl)amino]propanoate (CAS 2003-76-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(N-methylanilino)propanoate
Also Known As: N-Methyl-N-phenyl-beta-alanine ethyl ester, N-Methyl-N-[2-(Ethoxycarbonyl)Ethyl]Aniline, ethyl 3-(methyl(phenyl)amino)propanoate, ethyl 3-(N-methylanilino)propanoate, ETHYL 3-[METHYL(PHENYL)AMINO]PROPANOATE
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.076 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 297.75024 |
Chemical Identifiers
| CAS Number | 2003-76-1 |
|---|---|
| SMILES | CCOC(=O)CCN(C)C1=CC=CC=C1 |
Product Overview
Ethyl 3-[methyl(phenyl)amino]propanoate (CAS 2003-76-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 3-(N-methylanilino)propanoate.
Chemical Property Profile of Ethyl 3-[methyl(phenyl)amino]propanoate
Property Insights of Ethyl 3-[methyl(phenyl)amino]propanoate
The XLogP value of 2.076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[methyl(phenyl)amino]propanoate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 3-[methyl(phenyl)amino]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[methyl(phenyl)amino]propanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-[methyl(phenyl)amino]propanoate?
The CAS number of Ethyl 3-[methyl(phenyl)amino]propanoate is 2003-76-1.
What is the molecular formula of Ethyl 3-[methyl(phenyl)amino]propanoate?
The molecular formula of Ethyl 3-[methyl(phenyl)amino]propanoate is C12H17NO2.
What is the molecular weight of Ethyl 3-[methyl(phenyl)amino]propanoate?
The molecular weight of Ethyl 3-[methyl(phenyl)amino]propanoate is 207.13 g/mol.
Where can I buy Ethyl 3-[methyl(phenyl)amino]propanoate?
You can request a quote for Ethyl 3-[methyl(phenyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[methyl(phenyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[methyl(phenyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.